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BDBM50248084 (R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(5-methylfuran-2-yl)propylamino)-1,2,5-thiadiazol-3-ylamino)-6-(trifluoromethyl)benzamide::CHEMBL464013

SMILES: CC[C@@H](Nc1nsnc1Nc1ccc(c(C(=O)N(C)C)c1O)C(F)(F)F)c1ccc(C)o1

InChI Key: InChIKey=MWABJGSIPHBDDC-GFCCVEGCSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248084   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248084
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1ccc(c(C(=O)N(C)C)c1O)C(F)(F)F)c1ccc(C)o1 |r|
Show InChI InChI=1S/C20H22F3N5O3S/c1-5-12(14-9-6-10(2)31-14)24-17-18(27-32-26-17)25-13-8-7-11(20(21,22)23)15(16(13)29)19(30)28(3)4/h6-9,12,29H,5H2,1-4H3,(H,24,26)(H,25,27)/t12-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
7.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50248084
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1ccc(c(C(=O)N(C)C)c1O)C(F)(F)F)c1ccc(C)o1 |r|
Show InChI InChI=1S/C20H22F3N5O3S/c1-5-12(14-9-6-10(2)31-14)24-17-18(27-32-26-17)25-13-8-7-11(20(21,22)23)15(16(13)29)19(30)28(3)4/h6-9,12,29H,5H2,1-4H3,(H,24,26)(H,25,27)/t12-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
749n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR2 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair